@MOLECULE (5z,14e)-9-oxoprosta-5,14-dien-1-oic acid 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8762 2.1644 -0.2750 O.2 1 UNL1111111111 -0.4586 2 O 0.9516 -1.9412 -1.0092 O.3 1 UNL1111111111 -0.5760 3 O 0.3119 -2.6196 1.0108 O.2 1 UNL1111111111 -0.5172 4 C -1.3931 1.6655 0.3944 C.3 1 UNL1111111111 -0.0964 5 C -2.7724 1.0333 0.0951 C.3 1 UNL1111111111 -0.2304 6 C -1.3909 3.0104 -0.3685 C.3 1 UNL1111111111 -0.2704 7 C -2.8562 3.4599 -0.4329 C.3 1 UNL1111111111 -0.3902 8 C -3.6793 2.2121 -0.2078 C.2 1 UNL1111111111 0.4840 9 C -0.2682 0.7262 -0.0457 C.3 1 UNL1111111111 -0.3092 10 C -3.2894 0.1707 1.2493 C.3 1 UNL1111111111 -0.2729 11 C 1.0877 1.2565 0.2823 C.2 1 UNL1111111111 -0.1480 12 C -4.3635 -0.7421 0.7528 C.2 1 UNL1111111111 -0.1462 13 C 2.1239 1.1260 -0.5512 C.2 1 UNL1111111111 -0.1917 14 C -4.1834 -2.0171 0.3974 C.2 1 UNL1111111111 -0.1795 15 C 3.5026 1.5908 -0.2143 C.3 1 UNL1111111111 -0.2785 16 C -2.8797 -2.7485 0.4367 C.3 1 UNL1111111111 -0.2804 17 C 4.4639 0.3915 -0.1819 C.3 1 UNL1111111111 -0.2671 18 C 5.8884 0.8472 0.1560 C.3 1 UNL1111111111 -0.2705 19 C -2.2026 -2.6683 -0.9405 C.3 1 UNL1111111111 -0.2415 20 C 6.8447 -0.3523 0.2000 C.3 1 UNL1111111111 -0.2501 21 C -0.8670 -3.4233 -0.9668 C.3 1 UNL1111111111 -0.3509 22 C 8.2684 0.0981 0.5271 C.3 1 UNL1111111111 -0.4412 23 C 0.1534 -2.6644 -0.1813 C.2 1 UNL1111111111 0.6524 24 H -1.3015 1.8666 1.4872 H 1 UNL1111111111 0.1445 25 H -2.7140 0.4104 -0.8329 H 1 UNL1111111111 0.1696 26 H -0.7500 3.7518 0.1329 H 1 UNL1111111111 0.1441 27 H -0.9705 2.8851 -1.3814 H 1 UNL1111111111 0.1472 28 H -3.0933 4.2138 0.3407 H 1 UNL1111111111 0.1715 29 H -3.1114 3.9364 -1.3951 H 1 UNL1111111111 0.1704 30 H -0.3604 0.4971 -1.1277 H 1 UNL1111111111 0.1532 31 H -0.3993 -0.2522 0.4748 H 1 UNL1111111111 0.1629 32 H -3.6747 0.8091 2.0699 H 1 UNL1111111111 0.1524 33 H -2.4489 -0.4029 1.6962 H 1 UNL1111111111 0.1552 34 H 1.1809 1.7283 1.2585 H 1 UNL1111111111 0.1495 35 H -5.3436 -0.2638 0.6738 H 1 UNL1111111111 0.1612 36 H 2.0241 0.6700 -1.5356 H 1 UNL1111111111 0.1461 37 H -5.0192 -2.6145 0.0332 H 1 UNL1111111111 0.1424 38 H 3.5300 2.1209 0.7584 H 1 UNL1111111111 0.1449 39 H 3.8453 2.3334 -0.9642 H 1 UNL1111111111 0.1472 40 H 4.4544 -0.1296 -1.1572 H 1 UNL1111111111 0.1365 41 H 4.1131 -0.3454 0.5650 H 1 UNL1111111111 0.1396 42 H -3.0404 -3.8076 0.7228 H 1 UNL1111111111 0.1443 43 H -2.2035 -2.3449 1.2206 H 1 UNL1111111111 0.1612 44 H 6.2401 1.5833 -0.5903 H 1 UNL1111111111 0.1359 45 H 5.8993 1.3735 1.1287 H 1 UNL1111111111 0.1375 46 H -2.8781 -3.0861 -1.7124 H 1 UNL1111111111 0.1489 47 H -2.0494 -1.6081 -1.2255 H 1 UNL1111111111 0.1485 48 H 6.4981 -1.0853 0.9532 H 1 UNL1111111111 0.1361 49 H 6.8305 -0.8842 -0.7700 H 1 UNL1111111111 0.1339 50 H -0.5295 -3.5650 -2.0170 H 1 UNL1111111111 0.1793 51 H -0.9851 -4.4424 -0.5401 H 1 UNL1111111111 0.1775 52 H 8.6498 0.7987 -0.2239 H 1 UNL1111111111 0.1419 53 H 8.3165 0.5993 1.5004 H 1 UNL1111111111 0.1429 54 H 8.9562 -0.7540 0.5618 H 1 UNL1111111111 0.1411 55 H 1.6172 -1.3723 -0.5363 H 1 UNL1111111111 0.3630 @BOND 1 1 8 2 2 2 23 1 3 2 55 1 4 3 23 2 5 4 5 1 6 4 6 1 7 4 9 1 8 4 24 1 9 5 8 1 10 5 10 1 11 5 25 1 12 6 7 1 13 6 26 1 14 6 27 1 15 7 8 1 16 7 28 1 17 7 29 1 18 9 11 1 19 9 30 1 20 9 31 1 21 10 12 1 22 10 32 1 23 10 33 1 24 11 13 2 25 11 34 1 26 12 14 2 27 12 35 1 28 13 15 1 29 13 36 1 30 14 16 1 31 14 37 1 32 15 17 1 33 15 38 1 34 15 39 1 35 16 19 1 36 16 42 1 37 16 43 1 38 17 18 1 39 17 40 1 40 17 41 1 41 18 20 1 42 18 44 1 43 18 45 1 44 19 21 1 45 19 46 1 46 19 47 1 47 20 22 1 48 20 48 1 49 20 49 1 50 21 23 1 51 21 50 1 52 21 51 1 53 22 52 1 54 22 53 1 55 22 54 1